Ethanol → HCID 69419042, compound

HRID 2136937Notes

Reaction equation

HRID 2136937 reaction equation
[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH3:43][CH2:44][OH:45].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6](-[c:9]3[cH:10][cH:11][c:12]([O:15][CH2:16][CH:17]4[O:18][CH2:19]4)[cH:13][cH:14]3)[n:7][o:8]2)[cH:20][cH:21]1.[F:22][c:23]1[cH:24][c:25]2[c:26]([c:27]([CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[n:28][o:29]2)[cH:36][cH:37]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6](-[c:9]3[cH:10][cH:11][c:12]([O:15][CH2:16][CH:17]([OH:18])[CH2:19][N:33]4[CH2:32][CH2:31][CH:30]([c:27]5[c:26]6[c:25]([cH:24][c:23]([F:22])[cH:37][cH:36]6)[o:29][n:28]5)[CH2:35][CH2:34]4)[cH:13][cH:14]3)[n:7][o:8]2)[cH:20][cH:21]1

Participants

5

Reactant 4

HCID 702EthanolHCID 6228DimethylformamideHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 179063276-Fluoro-3-[4-(oxiran-2-ylmethoxy)phenyl]-1,2-benzoxazole

Product 1

HCID 69419042HCID 69419042, compound

Sources & evidence

ORD record
ord-43501c0d22c3403cb045a1a85ad3298f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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